N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O4S/c1-15-10-11-18(25(27)28)13-20(15)23-22(30)24-21(26)17-8-5-9-19(12-17)29-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H2,23,24,26,30)